2-amino-N-[5-(5-phenyltetrazol-2-yl)pentyl]acetamide

C14H20N6O — CID 177376613

IUPAC2-amino-N-[5-(5-phenyltetrazol-2-yl)pentyl]acetamide
SMILESNCC(=O)NCCCCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H20N6O/c15-11-13(21)16-9-5-2-6-10-20-18-14(17-19-20)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11,15H2,(H,16,21)
InChIKeyQPOIHWQNKXYOOX-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.59
Rot. Bonds8

About 2-amino-N-[5-(5-phenyltetrazol-2-yl)pentyl]acetamide

2-amino-N-[5-(5-phenyltetrazol-2-yl)pentyl]acetamide (PubChem CID 177376613) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-amino-N-[5-(5-phenyltetrazol-2-yl)pentyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[5-(5-phenyltetrazol-2-yl)pentyl]acetamide
PubChem CID177376613
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name2-amino-N-[5-(5-phenyltetrazol-2-yl)pentyl]acetamide
SMILESNCC(=O)NCCCCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H20N6O/c15-11-13(21)16-9-5-2-6-10-20-18-14(17-19-20)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11,15H2,(H,16,21)
InChIKeyQPOIHWQNKXYOOX-UHFFFAOYSA-N
XLogP0.59
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(5-phenyltetrazol-2-yl)pentyl]acetamide?
The IUPAC name of 2-amino-N-[5-(5-phenyltetrazol-2-yl)pentyl]acetamide (CID 177376613) is 2-amino-N-[5-(5-phenyltetrazol-2-yl)pentyl]acetamide.
What is the SMILES notation for 2-amino-N-[5-(5-phenyltetrazol-2-yl)pentyl]acetamide?
The canonical SMILES for 2-amino-N-[5-(5-phenyltetrazol-2-yl)pentyl]acetamide is NCC(=O)NCCCCCn1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-amino-N-[5-(5-phenyltetrazol-2-yl)pentyl]acetamide?
The InChIKey is QPOIHWQNKXYOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c15-11-13(21)16-9-5-2-6-10-20-18-14(17-19-20)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11,15H2,(H,16,21).
What are the key properties of 2-amino-N-[5-(5-phenyltetrazol-2-yl)pentyl]acetamide?
2-amino-N-[5-(5-phenyltetrazol-2-yl)pentyl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(5-phenyltetrazol-2-yl)pentyl]acetamide is sourced from PubChem (CID 177376613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).